SCHEMBL13958894

SCHEMBL13958894

CC(C)(C)NCc1ccc2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 4/20 0.49
▸ CYSLTR2 Q9NS75 2/20 0.49
▸ KDM1A O60341 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ CYP1A2 P05177 2/20 0.45
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ NCF1 P14598 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ GPBAR1 Q8TDU6 4/20 0.42
▸ PDE10A Q9Y233 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22493232 0.83 PDE10A (0.47) CYSLTR1CYSLTR2CYP1A2NCF1PDE10A
SCHEMBL2924050 0.79 NCF1 (0.53) CYSLTR1CYSLTR2KDM1AMAOAMAOB
SCHEMBL24943587 0.79 HDAC1 (0.55) CYSLTR1CYSLTR2KDM1AMAOAMAOB
SCHEMBL13959075 0.78 PDE10A (0.42) CYSLTR1CYSLTR2CYP1A2HDAC1HDAC2
Hydrochloric Acid SCHEMBL7830119 0.78 NCF1 (0.52) CYSLTR1CYSLTR2KDM1AMAOAMAOB
SCHEMBL13959082 0.77 HDAC1 (0.49) CYP1A2HDAC1HDAC2PDE10A
SCHEMBL13959081 0.77 HDAC1 (0.49) CYSLTR1CYSLTR2HDAC1HDAC2KDM4E
SCHEMBL1039381 0.76 KDM1A (0.48) CYSLTR1CYSLTR2KDM1AMAOAMAOB
SCHEMBL31536348 0.76 HDAC1 (0.56) CYSLTR1CYP1A2HDAC1HDAC2HPGD
SCHEMBL13959104 0.76 TERT (0.47) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2984094-B1 PROCESS FOR THE DIASTEREOSELECTIVE PREPARATION OF RUTHENIUM COMPLEXES SYNGENTA PARTICIPATIONS AG (CH) 2020-05-13 — — EP disclosed
US-9303054-B2 Process for the diastereoselective preparation of ruthenium complexes SYNGENTA PARTICIPATIONS AG (CH) 2016-04-05 — — US disclosed
US-9303054-B2 Process for the diastereoselective preparation of ruthenium complexes SYNGENTA PARTICIPATIONS AG (CH) 2016-04-05 — — US disclosed
US-20160046658-A1 PROCESS FOR THE DIASTEREOSELECTIVE PREPARATION OF RUTHENIUM COMPLEXES SYNGENTA PARTICIPATIONS AG (CH) 2016-02-18 — — US disclosed
US-20160046658-A1 PROCESS FOR THE DIASTEREOSELECTIVE PREPARATION OF RUTHENIUM COMPLEXES SYNGENTA PARTICIPATIONS AG (CH) 2016-02-18 — — US disclosed
WO-2014166777-A1 PROCESS FOR THE DIASTEREOSELECTIVE PREPARATION OF RUTHENIUM COMPLEXES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 — — WO disclosed
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents HILL JASON 2009-01-08 — — US disclosed
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents HILL JASON 2009-01-08 — — US disclosed
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CUBIST PHARMACEUTICALS, INC. 2008-11-20 — — US disclosed
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CUBIST PHARMACEUTICALS, INC. 2008-11-20 — — US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP CYSLTR1 484/4885CYSLTR2 527/4885KDM1A 4378/4885
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP CYSLTR1 484/4885CYSLTR2 527/4885KDM1A 4378/4885
US-20160046658-A1 PROCESS FOR THE DIASTEREOSELECTIVE PREPARATION OF RUTHENIUM COMPLEXES C1R, C5, C1S CYSLTR1 453/4885CYSLTR2 386/4885KDM1A 1821/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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